9C65 | pdb_00009c65

Crystal structure of Staphylococcal Superantigen-Like protein 11 in complex with SB618

PDB DOI: https://doi.org/10.2210/pdb9C65/pdb

Classification: SUGAR BINDING PROTEIN
Organism(s): Staphylococcus aureus
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2024-06-07 Released: 2025-06-18
Deposition Author(s): Finton, S., Birrane, G.
Funding Organization(s): Science Foundation Ireland

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.46 ?
R-Value Free:
0.208 (Depositor), 0.207 (DCC)
R-Value Work:
0.174 (Depositor), 0.182 (DCC)

Starting Model: experimental
View more details

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

Structure of SB618 in Complex with SSL11

Finton, S., Birrane, G.

To be published.

Macromolecule Content

Total Structure Weight: 23.56 kDa
Atom Count: 1,665
Modeled Residue Count: 182
Deposited Residue Count: 196
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Superantigen-like protein 11	A	196	Staphylococcus aureus	Mutation(s): 0 Gene Names: sl11
UniProt
Find proteins for A8E1U5 (Staphylococcus aureus) Explore A8E1U5 Go to UniProtKB: A8E1U5
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A8E1U5
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 4 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SIA Query on SIA Download Ideal Coordinates CCD File SDF format, chain E [auth A] MOL2 format, chain E [auth A] mmCIF format, chain E [auth A]	E [auth A]	N-acetyl-alpha-neuraminic acid C₁₁ H₁₉ N O₉ SQVRNKJHWKZAKO-YRMXFSIDSA-N		Interactions Focus chain E [auth A] Interactions & Density Focus chain E [auth A]
A1AUS (Subject of Investigation/LOI) Query on A1AUS Download Ideal Coordinates CCD File SDF format, chain F [auth A] MOL2 format, chain F [auth A] mmCIF format, chain F [auth A]	F [auth A]	4-(hydroxymethyl)-1-beta-L-mannopyranosyl-1H-1,2,3-triazole C₉ H₁₅ N₃ O₆ BHGZOVXPACYZLI-WMOCKQOXSA-N		Interactions Focus chain F [auth A] Interactions & Density Focus chain F [auth A]
MPD Query on MPD Download Ideal Coordinates CCD File SDF format, chain C [auth A] MOL2 format, chain C [auth A] mmCIF format, chain C [auth A]	C [auth A]	(4S)-2-METHYL-2,4-PENTANEDIOL C₆ H₁₄ O₂ SVTBMSDMJJWYQN-YFKPBYRVSA-N		Interactions Focus chain C [auth A] Interactions & Density Focus chain C [auth A]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain B [auth A] SDF format, chain D [auth A] MOL2 format, chain B [auth A] MOL2 format, chain D [auth A] mmCIF format, chain B [auth A] mmCIF format, chain D [auth A]	B [auth A], D [auth A]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain B [auth A] Focus chain D [auth A] Interactions & Density Focus chain B [auth A] Focus chain D [auth A]